6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one

C5H8N4O — CID 135905331

IUPAC6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(CN)c(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-3-7-5(10)4(2-6)9-8-3/h2,6H2,1H3,(H,7,8,10)
InChIKeyISDURAWVACQPMQ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.07
Rot. Bonds1

About 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one

6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135905331) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one
PubChem CID135905331
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(CN)c(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-3-7-5(10)4(2-6)9-8-3/h2,6H2,1H3,(H,7,8,10)
InChIKeyISDURAWVACQPMQ-UHFFFAOYSA-N
XLogP-1.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one (CID 135905331) is 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(CN)c(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is ISDURAWVACQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-7-5(10)4(2-6)9-8-3/h2,6H2,1H3,(H,7,8,10).
What are the key properties of 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one?
6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 140.15 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135905331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).